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16913-62-5

16913-62-5 | Carbamodithioic acid, N,N-dimethyl-, 4-methylphenyl ester

CAS No: 16913-62-5 Catalog No: AG001YIO MDL No:

Product Description

Catalog Number:
AG001YIO
Chemical Name:
Carbamodithioic acid, N,N-dimethyl-, 4-methylphenyl ester
CAS Number:
16913-62-5
Molecular Formula:
C10H13NS2
Molecular Weight:
211.3469
IUPAC Name:
(4-methylphenyl) N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3
InChI Key:
FTOHIVXNHNGXIS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC(=S)N(C)C

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.341g/mol
Monoisotopic Mass:
211.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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